6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one

C14H9NO — CID 141410950

IUPAC6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one
SMILESO=c1ccc2c3ccccc3cccc-2n1
InChIInChI=1S/C14H9NO/c16-14-9-8-12-11-6-2-1-4-10(11)5-3-7-13(12)15-14/h1-9H
InChIKeyHBVMNAPJMKPYMY-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.70
Rot. Bonds

About 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one

6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one (PubChem CID 141410950) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one.

Molecular Properties

Compound Name6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one
PubChem CID141410950
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one
SMILESO=c1ccc2c3ccccc3cccc-2n1
InChIInChI=1S/C14H9NO/c16-14-9-8-12-11-6-2-1-4-10(11)5-3-7-13(12)15-14/h1-9H
InChIKeyHBVMNAPJMKPYMY-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one?
The IUPAC name of 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one (CID 141410950) is 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one.
What is the SMILES notation for 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one?
The canonical SMILES for 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one is O=c1ccc2c3ccccc3cccc-2n1.
What is the InChIKey of 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one?
The InChIKey is HBVMNAPJMKPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-14-9-8-12-11-6-2-1-4-10(11)5-3-7-13(12)15-14/h1-9H.
What are the key properties of 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one?
6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one has a molecular weight of 207.23 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azatricyclo[9.4.0.02,7]pentadeca-1,3,6,8,10,12,14-heptaen-5-one is sourced from PubChem (CID 141410950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).